Data quality metrics extracted from 4ny1.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "f9387fae9e06394bc2b2448a1b53bdb7",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 150.742,
    "b": 150.742,
    "c": 46.310,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54190],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.4,1.70],
    "number_observations_unique": 42114,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0578
      },
      {
        "type": "I/SigI",
        "value": 9.29
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 1.89
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.70],
      "number_observations_unique": 2202,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3353
        },
        {
          "type": "I/SigI",
          "value": 1.64
        },
        {
          "type": "Completeness",
          "value": 94.5
        },
        {
          "type": "Redundancy",
          "value": 1.52
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.73],
      "number_observations_unique": 2045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2904
        },
        {
          "type": "I/SigI",
          "value": 1.89
        },
        {
          "type": "Completeness",
          "value": 95.2
        },
        {
          "type": "Redundancy",
          "value": 1.55
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.76],
      "number_observations_unique": 1924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2204
        },
        {
          "type": "I/SigI",
          "value": 2.29
        },
        {
          "type": "Completeness",
          "value": 96.2
        },
        {
          "type": "Redundancy",
          "value": 1.57
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.79],
      "number_observations_unique": 2376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2030
        },
        {
          "type": "I/SigI",
          "value": 2.60
        },
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 1.65
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.83],
      "number_observations_unique": 2185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1679
        },
        {
          "type": "I/SigI",
          "value": 3.22
        },
        {
          "type": "Completeness",
          "value": 97.5
        },
        {
          "type": "Redundancy",
          "value": 1.67
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.87],
      "number_observations_unique": 2489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1373
        },
        {
          "type": "I/SigI",
          "value": 3.90
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 1.73
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):